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8F7F
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BU of 8f7f by Molmil
The condensation domain of surfactin A synthetase C in space group P43212
Descriptor: GLYCEROL, Surfactin synthetase
Authors:Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M.
Deposit date:2022-11-18
Release date:2023-11-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
1TKC
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BU of 1tkc by Molmil
SPECIFICITY OF COENZYME BINDING IN THIAMIN DIPHOSPHATE DEPENDENT ENZYMES: CRYSTAL STRUCTURES OF YEAST TRANSKETOLASE IN COMPLEX WITH ANALOGS OF THIAMIN DIPHOSPHATE
Descriptor: 6'-METHYL-THIAMIN DIPHOSPHATE, CALCIUM ION, TRANSKETOLASE
Authors:Schneider, G, Koenig, S.
Deposit date:1994-02-07
Release date:1994-11-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Specificity of coenzyme binding in thiamin diphosphate-dependent enzymes. Crystal structures of yeast transketolase in complex with analogs of thiamin diphosphate.
J.Biol.Chem., 269, 1994
1TKA
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SPECIFICITY OF COENZYME BINDING IN THIAMIN DIPHOSPHATE DEPENDENT ENZYMES: CRYSTAL STRUCTURES OF YEAST TRANSKETOLASE IN COMPLEX WITH ANALOGS OF THIAMIN DIPHOSPHATE
Descriptor: 3'-DEAZO-THIAMIN DIPHOSPHATE, CALCIUM ION, TRANSKETOLASE
Authors:Schneider, G, Koenig, S.
Deposit date:1994-02-07
Release date:1994-11-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Specificity of coenzyme binding in thiamin diphosphate-dependent enzymes. Crystal structures of yeast transketolase in complex with analogs of thiamin diphosphate.
J.Biol.Chem., 269, 1994
4MG6
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BU of 4mg6 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with benzylbutylphtalate
Descriptor: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
1PGG
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BU of 1pgg by Molmil
PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), TRANS MODEL
Descriptor: 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Loll, P.J, Picot, D, Garavito, R.M.
Deposit date:1995-12-02
Release date:1997-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
1UBP
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BU of 1ubp by Molmil
CRYSTAL STRUCTURE OF UREASE FROM BACILLUS PASTEURII INHIBITED WITH BETA-MERCAPTOETHANOL AT 1.65 ANGSTROMS RESOLUTION
Descriptor: BETA-MERCAPTOETHANOL, NICKEL (II) ION, UREASE
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:1998-01-21
Release date:1999-03-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The complex of Bacillus pasteurii urease with beta-mercaptoethanol from X-ray data at 1.65-A resolution
J.Biol.Inorg.Chem., 3, 1998
1JRK
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BU of 1jrk by Molmil
Crystal Structure of a Nudix Protein from Pyrobaculum aerophilum Reveals a Dimer with Intertwined Beta Sheets
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Nudix homolog
Authors:Wang, S, Mura, C, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2001-08-13
Release date:2002-04-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a Nudix protein from Pyrobaculum aerophilum reveals a dimer with two intersubunit beta-sheets.
Acta Crystallogr.,Sect.D, 58, 2002
1JS6
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BU of 1js6 by Molmil
Crystal Structure of DOPA decarboxylase
Descriptor: DOPA decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Burkhard, P, Dominici, P, Borri-Voltattorni, C, Jansonius, J.N, Malashkevich, V.N.
Deposit date:2001-08-16
Release date:2001-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insight into Parkinson's disease treatment from drug-inhibited DOPA decarboxylase.
Nat.Struct.Biol., 8, 2001
1PGE
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BU of 1pge by Molmil
PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID (IODOSUPROFEN)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID, ...
Authors:Loll, P.J, Picot, D, Garavito, R.M.
Deposit date:1995-12-02
Release date:1997-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
1TUX
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BU of 1tux by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURE OF A THERMOSTABLE XYLANASE FROM THERMOASCUS AURANTIACUS
Descriptor: XYLANASE
Authors:Natesh, R, Bhanumoorthy, P, Vithayathil, P.J, Sekar, K, Ramakumar, S, Viswamitra, M.A.
Deposit date:1998-10-29
Release date:1999-07-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure at 1.8 A resolution and proposed amino acid sequence of a thermostable xylanase from Thermoascus aurantiacus.
J.Mol.Biol., 288, 1999
4MGC
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BU of 4mgc by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with benzophenone-2
Descriptor: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
5U8Q
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BU of 5u8q by Molmil
Structure of the ectodomain of the human Type 1 insulin-like growth factor receptor in complex with IGF-I
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-MALATE, ...
Authors:Lawrence, M, Xu, Y.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2710402 Å)
Cite:How ligand binds to the type 1 insulin-like growth factor receptor.
Nat Commun, 9, 2018
1PGF
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BU of 1pgf by Molmil
PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), CIS MODEL
Descriptor: 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Loll, P.J, Picot, D, Garavito, R.M.
Deposit date:1995-12-02
Release date:1997-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
4MGA
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BU of 4mga by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol
Descriptor: 4-(2,4,4-trimethylpentan-2-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 1
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
1XER
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BU of 1xer by Molmil
STRUCTURE OF FERREDOXIN
Descriptor: FE3-S4 CLUSTER, FERREDOXIN, ZINC ION
Authors:Fujii, T, Hata, Y, Moriyama, H, Wakagi, T, Tanaka, N, Oshima, T.
Deposit date:1996-08-28
Release date:1997-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel zinc-binding centre in thermoacidophilic archaeal ferredoxins.
Nat.Struct.Biol., 3, 1996
5TWG
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BU of 5twg by Molmil
human MOB1A bound to human MST1 phosphorylated T353 peptide
Descriptor: MOB kinase activator 1A, T353 peptide, ZINC ION
Authors:Xiong, S, Sicheri, F.
Deposit date:2016-11-13
Release date:2017-04-12
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:MOB1 Mediated Phospho-recognition in the Core Mammalian Hippo Pathway.
Mol. Cell Proteomics, 16, 2017
4I73
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BU of 4i73 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with compound UAMC-00312
Descriptor: (2R,3R,4S)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol, CALCIUM ION, Inosine-adenosine-guanosine-nucleoside hydrolase, ...
Authors:Giannese, F, Degano, M.
Deposit date:2012-11-30
Release date:2013-08-07
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
1PPA
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BU of 1ppa by Molmil
THE CRYSTAL STRUCTURE OF A LYSINE 49 PHOSPHOLIPASE A2 FROM THE VENOM OF THE COTTONMOUTH SNAKE AT 2.0 ANGSTROMS RESOLUTION
Descriptor: ANILINE, PHOSPHOLIPASE A2
Authors:Holland, D.R, Clancy, L.L, Muchmore, S.W, Rydel, T.J, Einspahr, H.M, Finzel, B.C, Heinrikson, R.L, Watenpaugh, K.D.
Deposit date:1991-10-29
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of a lysine 49 phospholipase A2 from the venom of the cottonmouth snake at 2.0-A resolution.
J.Biol.Chem., 265, 1990
1BBN
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BU of 1bbn by Molmil
THREE-DIMENSIONAL SOLUTION STRUCTURE OF HUMAN INTERLEUKIN-4 BY MULTI-DIMENSIONAL HETERONUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
Descriptor: INTERLEUKIN-4
Authors:Clore, G.M, Powers, B, Garrett, D.S, Gronenborn, A.M.
Deposit date:1992-05-01
Release date:1993-10-31
Last modified:2024-06-05
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of human interleukin-4 by multidimensional heteronuclear magnetic resonance spectroscopy.
Science, 256, 1992
1UCB
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BU of 1ucb by Molmil
STRUCTURE OF UNCOMPLEXED FAB COMPARED TO COMPLEX (1CLY, 1CLZ)
Descriptor: CHIMERIC HUMAN/MOUSE IGG FAB FRAGMENT BR96, SULFATE ION
Authors:Sheriff, S, Bajorath, J.
Deposit date:1996-02-06
Release date:1997-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structure of the uncomplexed anti-tumor antibody BR96 and comparison with its antigen-bound form.
J.Mol.Biol., 259, 1996
4I71
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BU of 4i71 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with a trypanocidal compound
Descriptor: (2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Giannese, F, Degano, M.
Deposit date:2012-11-30
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
4D8H
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BU of 4d8h by Molmil
Crystal structure of Symfoil-4P/PV2: de novo designed beta-trefoil architecture with symmetric primary structure, primitive version 2 (6xLeu / PV1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo protein
Authors:Blaber, M, Longo, L.
Deposit date:2012-01-10
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Simplified protein design biased for prebiotic amino acids yields a foldable, halophilic protein.
Proc.Natl.Acad.Sci.USA, 110, 2013
1UAQ
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BU of 1uaq by Molmil
The crystal structure of yeast cytosine deaminase
Descriptor: DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE, ZINC ION, cytosine deaminase
Authors:Ko, T.-P, Lin, J.-J, Hu, C.-Y, Hsu, Y.-H, Wang, A.H.-J, Liaw, S.-H.
Deposit date:2003-03-14
Release date:2003-04-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of yeast cytosine deaminase. Insights into enzyme mechanism and evolution
J.Biol.Chem., 278, 2003
1QBN
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BU of 1qbn by Molmil
Bovine Trypsin 2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic Acid (ZK-806688) Complex
Descriptor: 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-25
Release date:2000-05-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
4LIP
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BU of 4lip by Molmil
PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-DIBUTYLCARBAMOYLGLYCERO-3-O-BUTYLPHOSPHONATE
Descriptor: BUTYLPHOSPHONATE, CALCIUM ION, TRIACYL-GLYCEROL-HYDROLASE
Authors:Lang, D.A, Dijkstra, B.W.
Deposit date:1997-08-18
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of the chiral selectivity of Pseudomonas cepacia lipase
Eur.J.Biochem., 254, 1998

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